Water → LY 393558

HRID 179309Notes

Reaction equation

HRID 179309 reaction equation
[CH3:1][CH:2]([CH3:3])[N:4]1[S:5](=[O:18])(=[O:19])[NH:6][c:7]2[c:8]([cH:10][c:11]([S:14](=[O:15])(=[O:16])[CH3:17])[cH:12][cH:13]2)[CH2:9]1.[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[F:39][c:40]1[cH:41][cH:42][c:43]2[c:44]([C:49]3=[CH:54][CH2:53][N:52]([CH2:55][CH2:56][OH:57])[CH2:51][CH2:50]3)[cH:45][nH:46][c:47]2[cH:48]1.[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[OH2:69].[c:20]1([P:21]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[CH3:1][CH:2]([CH3:3])[N:4]1[S:5](=[O:18])(=[O:19])[N:6]([CH2:56][CH2:55][N:52]2[CH2:51][CH2:50][C:49]([c:44]3[c:43]4[cH:42][cH:41][c:40]([F:39])[cH:48][c:47]4[nH:46][cH:45]3)=[CH:54][CH2:53]2)[c:7]2[c:8]([cH:10][c:11]([S:14](=[O:15])(=[O:16])[CH3:17])[cH:12][cH:13]2)[CH2:9]1

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 11776TriphenylphosphineHCID 18332409HCID 18332409, compoundHCID 22595752HCID 22595752, compound

Product 1

HCID 10347428LY 393558

Sources & evidence

ORD record
ord-32e4b95864a24c50abddd066c0408cbd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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